| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 138077-74-4 |
| FDA UNII: | Search |
| Category: | information only not used for fragrances or flavors |
| IUPAC Name: | farnesyl mercaptan |
| InChI : | InChI=1/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3 |
| Std.InChI: | InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3 |
| InChIKey : | CJWPDADGDASKGI-UHFFFAOYAO |
| Std.InChIKey: | CJWPDADGDASKGI-UHFFFAOYSA-N |
| SMILES : | CC(=CCCC(=CCCC(=CCS)C)C)C |
| Molar Refractivity : | 79.13 ± 0.3 cm3 (est) |
| Parachor : | 630.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.497 ± 0.02 (est) |
| Surface Tension : | 29.6 ± 3.0 dyne/cm (est) |
| Density : | 0.881 ± 0.06 g/cm3 (est) |
| Polarizability : | 31.37 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.02041 mg/L @ 25 °C (est) | |
| None found |
| None found |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for farnesyl mercaptan usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for farnesyl mercaptan flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :53439773 |
| National Institute of Allergy and Infectious Diseases:Data |
| 3,7,11-trimethyldodeca-2,6,10-triene-1-thiol |
| 3,7,11-trimethyldodeca-2,6,10-triene-1-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 53439773 |
| Pubchem (cas): | 138077-74-4 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| None Found |
| None Found |
| not found in nature |
| 2,6,10- | dodecatriene-1-thiol, 3,7,11-trimethyl-, (E,E)- |
| farnesyl thiol | |
| 3,7,11- | trimethyldodeca-2,6,10-triene-1-thiol |
| None found yet. Try the PubMed Search. |
